SCHEMBL6259592

SCHEMBL6259592

CCC(CCc1cc(C)c(S(N)(=O)=O)s1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 16/20 0.45
AR P10275 6/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6262203 0.93 VDR (0.45) VDRAR
SCHEMBL6262647 0.86 VDR (0.40) VDRAR
SCHEMBL4479445 0.86 VDR (0.43) VDRAR
SCHEMBL6264088 0.85 VDR (0.39) VDRAR
SCHEMBL6257986 0.83 VDR (0.37) VDRAR
SCHEMBL6264164 0.81 VDR (0.48) VDRAR
SCHEMBL5971393 0.80 VDR (0.43) VDRAR
SCHEMBL4479443 0.79 VDR (0.47) VDRAR
SCHEMBL6261387 0.79 VDR (0.41) VDRAR
SCHEMBL5971252 0.79 VDR (0.42) VDRAR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587905-A3 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-12-14 EP disclosed
EP-1587905-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
EP-1511740-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-09 EP disclosed
WO-2004063348-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003101978-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-11 WO disclosed